Mol:FL5FAANI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0250 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0250 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0250 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0250 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5313 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5313 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0876 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0876 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0876 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0876 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5313 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5313 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6439 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6439 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2002 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2002 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2002 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2002 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6439 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6439 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6439 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6439 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7563 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7563 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3233 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3233 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8903 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8903 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8903 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8903 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3233 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3233 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7563 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7563 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5819 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5819 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7800 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7800 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5811 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5811 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1360 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1360 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6909 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6909 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6909 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6909 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2458 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2458 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5313 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5313 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4571 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4571 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7995 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7995 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3520 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3520 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9046 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9046 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9046 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9046 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4571 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4571 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANI0003 | + | ID FL5FAANI0003 |
| − | KNApSAcK_ID C00004995 | + | KNApSAcK_ID C00004995 |
| − | NAME Macarangin;(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Macarangin;(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 129385-65-5 | + | CAS_RN 129385-65-5 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c3)c(ccc3O)C(=C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O | + | SMILES c(c3)c(ccc3O)C(=C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.0250 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5313 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5313 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6439 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2002 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2002 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6439 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6439 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7563 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3233 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8903 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8903 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3233 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7563 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7800 -0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5811 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1360 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2458 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5313 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4571 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3520 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9046 -0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9046 -1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4571 -0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
8 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
15 26 1 0 0 0 0
24 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL5FAANI0003
KNApSAcK_ID C00004995
NAME Macarangin;(E)-6-(3,7-dimethyl-2,6-octadienyl)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;6-[(2E)-3,7-Dimethyl-2,6-octadienyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 129385-65-5
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c3)c(ccc3O)C(=C(O)2)Oc(c(C2=O)1)cc(c(CC=C(C)CCC=C(C)C)c1O)O
M END
